2-(Hydroxymethyl)-6-nitrobenzonitrile

HCID 67401034
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Basic information

Standard SMILES
N#Cc1c(CO)cccc1[N+](=O)[O-]
InChIKey
ILCKSNQDNFQIIO-UHFFFAOYSA-N
Molecular formula
C8H6N2O3
Average molar mass
178.14 g/mol
Monoisotopic mass
178.03784206

Names & identifiers

Preferred name
2-(Hydroxymethyl)-6-nitrobenzonitrile
IUPAC
2-(hydroxymethyl)-6-nitrobenzonitrile

Names & synonyms

2-(hydroxymethyl)-6-nitrobenzonitrileSCHEMBL2419167SCHEMBL16954902ILCKSNQDNFQIIO-UHFFFAOYSA-N

Database identifiers

PubChem CID
67401034

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
89.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
13

Related reactions

4 records
New reaction record

Compound notes

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